| SpectraBase Compound ID | Isp9UkmhFH6 |
|---|---|
| InChI | InChI=1S/C12H10N2O2/c1-15-11-4-3-9(6-12(11)16-2)5-10(7-13)8-14/h3-6H,1-2H3 |
| InChIKey | RENWPBQTHLAKLS-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C12H10N2O2 |
| Exact Mass | 214.074228 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | In5xfiwUlgk |
|---|---|
| Name | Veratrylidenemalononitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.074227568 u |
| Formula | C12H10N2O2 |
| InChI | InChI=1S/C12H10N2O2/c1-15-11-4-3-9(6-12(11)16-2)5-10(7-13)8-14/h3-6H,1-2H3 |
| InChIKey | RENWPBQTHLAKLS-UHFFFAOYSA-N |
| Molecular Weight | 214.224 g/mol |
| SMILES | C=1C(=CC=C(C1OC)OC)C=C(C#N)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.780501 |